Refs #4867 - Additions to IndirectCommon.py

* Some convenience methods.
* Much simpler reworking of getEFixed.
* Changes to support new Python API.
* GetWSangles and GetThetaQ.

Code/Mantid/scripts/Inelastic/IndirectCommon.py

@@ -1,13 +1,30 @@
 from mantidsimple import *
-import os.path
-import math
+from mantid import config, logger
+import os.path, math, datetime
+
+def StartTime(prog):
+    logger.notice('----------')
+    message = 'Program ' + prog +' started @ ' + str(datetime.datetime.now())
+    logger.notice(message)
+
+def EndTime(prog):
+    message = 'Program ' + prog +' ended @ ' + str(datetime.datetime.now())
+    logger.notice(message)
+    logger.notice('----------')
+
+def loadInst(instrument):    
+    ws = '__empty_' + instrument
+    if (mtd[ws] == None):
+        idf_dir = config['instrumentDefinition.directory']
+        idf = idf_dir + instrument + '_Definition.xml'
+        LoadEmptyInstrument(Filename=idf, OutputWorkspace=ws)
 
 def loadNexus(filename):
     '''Loads a Nexus file into a workspace with the name based on the
     filename. Convenience function for not having to play around with paths
     in every function.'''
     name = os.path.splitext( os.path.split(filename)[1] )[0]
-    LoadNexus(filename, name)
+    LoadNexus(Filename=filename, OutputWorkspace=name)
     return name
 
 def getWSprefix(workspace):
@@ -29,14 +46,8 @@ def getWSprefix(workspace):
     return prefix
 
 def getEfixed(workspace, detIndex=0):
-    det = mtd[workspace].getDetector(detIndex)
-    try:
-        efixed = det.getNumberParameter('Efixed')[0]
-    except AttributeError:
-        ids = det.getDetectorIDs()
-        det = mtd[workspace].getInstrument().getDetector(ids[0])
-        efixed = det.getNumberParameter('Efixed')[0]
-    return efixed
+    inst = mtd[workspace].getInstrument()
+    return inst.getNumberParameter("efixed-val")[0]
 
 def getRunTitle(workspace):
     ws = mtd[workspace]
@@ -49,6 +60,12 @@ def getRunTitle(workspace):
     title = isn + runNo + '-' + title
     return title
 
+def getDetectorTwoTheta(detector, samplePos, beamPos): #fix 'cos getTwoTheta is incorrectly gettwoTheta in new API
+    if hasattr(detector, 'getTwotheta'):
+        return detector.getTwotheta(samplePos, beamPos)
+    else:
+        return detector.getTwoTheta(samplePos, beamPos)
+
 def createQaxis(inputWS):
     result = []
     ws = mtd[inputWS]
@@ -60,7 +77,7 @@ def createQaxis(inputWS):
         for i in range(0,nHist):
             efixed = getEfixed(inputWS, i)
             detector = ws.getDetector(i)
-            theta = detector.getTwoTheta(samplePos, beamPos) / 2
+            theta = getDetectorTwoTheta(detector, samplePos, beamPos) / 2
             lamda = math.sqrt(81.787/efixed)
             q = 4 * math.pi * math.sin(theta) / lamda
             result.append(q)
@@ -79,10 +96,33 @@ def createQaxis(inputWS):
             result.append(float(axis.label(i)))
     return result
 
-def loadInst(instrument):    
-    ws = '__empty_' + instrument
-    if (mtd[ws] == None):
-        idf_dir = mantid.getConfigProperty('instrumentDefinition.directory')
-        idf = idf_dir + instrument + '_Definition.xml'
-        LoadEmptyInstrument(idf, ws)
-
+def GetWSangles(inWS,verbose=False):
+    nhist = mtd[inWS].getNumberHistograms()						# get no. of histograms/groups
+    sourcePos = mtd[inWS].getInstrument().getSource().getPos()
+    samplePos = mtd[inWS].getInstrument().getSample().getPos() 
+    beamPos = samplePos - sourcePos
+    angles = []										# will be list of angles
+    for index in range(0, nhist):
+        detector = mtd[inWS].getDetector(index)					# get index
+        twoTheta = getDetectorTwoTheta(detector, samplePos, beamPos)*180.0/math.pi		# calc angle
+        angles.append(twoTheta)						# add angle
+    return angles
+
+def GetThetaQ(inWS):
+    nhist = mtd[inWS].getNumberHistograms()						# get no. of histograms/groups
+    efixed = getEfixed(inWS)
+    wavelas = math.sqrt(81.787/efixed)					   # elastic wavelength
+    k0 = 4.0*math.pi/wavelas
+    d2r = math.pi/180.0
+    sourcePos = mtd[inWS].getInstrument().getSource().getPos()
+    samplePos = mtd[inWS].getInstrument().getSample().getPos() 
+    beamPos = samplePos - sourcePos
+    theta = []
+    Q = []
+    for index in range(0,nhist):
+        detector = mtd[inWS].getDetector(index)					# get index
+        twoTheta = getDetectorTwoTheta(detector, samplePos, beamPos)*180.0/math.pi		# calc angle
+        theta.append(twoTheta)						# add angle
+        Q.append(k0*math.sin(0.5*twoTheta*d2r))
+    return theta,Q
+